(2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C24H23FN4O2 — CID 166612719

IUPAC(2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCn1nc(C)cc1C(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C24H23FN4O2/c1-3-29-20(14-15(2)27-29)22(30)28-13-12-24(21(28)16-8-10-17(25)11-9-16)18-6-4-5-7-19(18)26-23(24)31/h4-11,14,21H,3,12-13H2,1-2H3,(H,26,31)/t21-,24+/m0/s1
InChIKeyKDZLIFHZKVQEEB-XUZZJYLKSA-N
MW418.47 g/mol
LogP3.83
Rot. Bonds3

About (2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166612719) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is (2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166612719
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name(2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCn1nc(C)cc1C(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C24H23FN4O2/c1-3-29-20(14-15(2)27-29)22(30)28-13-12-24(21(28)16-8-10-17(25)11-9-16)18-6-4-5-7-19(18)26-23(24)31/h4-11,14,21H,3,12-13H2,1-2H3,(H,26,31)/t21-,24+/m0/s1
InChIKeyKDZLIFHZKVQEEB-XUZZJYLKSA-N
XLogP3.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613792
(2'S,3R)-1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615691
(2'S,3R)-1'-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615956
(2'S,3R)-2'-(4-fluorophenyl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620503
1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166617276
1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620031
(2'S,3R)-2'-(4-fluorophenyl)-1'-(3-methyloxetane-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614215
(2'S,3R)-2'-(4-fluorophenyl)-1'-[3-(1,2,4-triazol-1-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622291
(2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613101
(2'S,3R)-1'-(1,2-oxazole-5-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621828
1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613772
1'-(2,6-dimethylpyridine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615130

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166612719) is (2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is CCn1nc(C)cc1C(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is KDZLIFHZKVQEEB-XUZZJYLKSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-3-29-20(14-15(2)27-29)22(30)28-13-12-24(21(28)16-8-10-17(25)11-9-16)18-6-4-5-7-19(18)26-23(24)31/h4-11,14,21H,3,12-13H2,1-2H3,(H,26,31)/t21-,24+/m0/s1.
What are the key properties of (2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 418.47 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166612719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).